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Fragmentation and Isomerization Due to Field Heating in Traveling Wave Ion Mobility Spectrometry

  • Research Article
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Journal of The American Society for Mass Spectrometry

Abstract

During their travel inside a traveling wave ion mobility cell (TW IMS), ions are susceptible to heating because of the presence of high intensity electric fields. Here, we report effective temperatures T eff,vib obtained at the injection and inside the mobility cell of a SYNAPT G2 HDMS spectrometer for different probe ions: benzylpyridinium ions and leucine enkephalin. Using standard parameter sets, we obtained a temperature of ~800 K at injection and 728 ± 2 K into the IMS cell for p-methoxybenzylpyridinium. We found that T eff,vib inside the cell was dependent on the separation parameters and on the nature of the analyte. While the mean energy of the Boltzmann distributions increases with ion size, the corresponding temperature decreases because of increasing numbers of vibrational normal modes. We also investigated conformational rearrangements of 7+ ions of cytochrome c and reveal isomerization of the most compact structure, therefore highlighting the effects of weak heating on the gas-phase structure of biologically relevant ions.

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Acknowledgment

The authors thank the FRS-FNRS for financial support. Professor Bernard Leyh (University of Liege) is acknowledged for discussions.

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Author notes

  1. Valérie Gabelica

    Present address: U869 - ARNA Laboratory, Inserm & Univ. Bordeaux, F-33600, Pessac, France

Authors and Affiliations

  1. Mass Spectrometry Laboratory, University of Liège, Institut de Chimie Bat. B6c, 4000, Liège, Belgium

    Denis Morsa, Valérie Gabelica & Edwin De Pauw

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  1. Denis Morsa
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  2. Valérie Gabelica
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  3. Edwin De Pauw
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Correspondence to Edwin De Pauw.

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Morsa, D., Gabelica, V. & De Pauw, E. Fragmentation and Isomerization Due to Field Heating in Traveling Wave Ion Mobility Spectrometry. J. Am. Soc. Mass Spectrom. 25, 1384–1393 (2014). https://doi.org/10.1007/s13361-014-0909-9

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